Study on the reactivity of radical-molecular addition reaction using quantum method

Acta Chimica Sinica ›› 1998, Vol. 56 ›› Issue (1): 9-12. Previous Articles Next Articles

Original Articles

自由基-分子加成反应活性的量子化学研究

王贵昌;潘荫明;赵学庄

南开大学化学系

发布日期:1998-01-15

Study on the reactivity of radical-molecular addition reaction using quantum method

WANG GUICHANG;PAN YINMING;ZHAO XUEZHUANG

Published:1998-01-15

Abstract

In this paper, the reactivity of radical-molecular addition reaction was studied in terms of MNDO semi-empirical method and the generalized perturbation theory. It is found that a good relationship exists between the second perturbation energy and the activation energy. In addition, the factors affecting the reaction reactivity were also discussed.

Key words: ALKENE, FLUOROHYDROCARBON, ADDITION REACTION, ACTIVATION ENERGY, FREE RADICALS

CLC Number:

O641

Cite this article

WANG GUICHANG;PAN YINMING;ZHAO XUEZHUANG. Study on the reactivity of radical-molecular addition reaction using quantum method[J]. Acta Chimica Sinica, 1998, 56(1): 9-12.

Export EndNote|Reference Manager|ProCite|BibTeX|RefWorks

[1]	Jianqiang Chen, Gangguo Zhu, Jie Wu. Recent Advances in Radical-Based Dehydroxylation of Hydroxyl Groups via Oxalates [J]. Acta Chimica Sinica, 2023, 81(11): 1609-1623.
[2]	Cheng Lei, Zhou Qilin. Advances on Nickel-Catalyzed C(sp³)-C(sp³) Bond Formation [J]. Acta Chimica Sinica, 2020, 78(10): 1017-1029.
[3]	Zhao, Qi, Tu, Shu-Jiang, Jiang, Bo. Hydrogen Radical Initiated 1,2-Alkynyl Migration [J]. Acta Chimica Sinica, 2019, 77(9): 927-931.
[4]	Tang, Nana, Shao, Xin, Wang, Mingyang, Wu, Xinxin, Zhu, Chen. Sulfonyl Chlorides Mediated Alkynylation of Non-activated Alkenes via Distal Alkynyl Group Migration [J]. Acta Chimica Sinica, 2019, 77(9): 922-926.
[5]	Chen Zhiyao, Liu Jiewei, Cui Hao, Zhang Li, Su Chengyong. Applications of Porphyrin Metal-Organic Frameworks in CO₂ Capture and Conversion [J]. Acta Chim. Sinica, 2019, 77(3): 242-252.
[6]	Jiao Yang, Zhang Xi. Supramolecular Free Radicals: Fabrication, Modulation and Functions [J]. Acta Chim. Sinica, 2018, 76(9): 659-665.
[7]	Wang Yinghui, Jie Jialong, Zhao Hongmei, Bai Yu, Qin Peixuan, Song Di. Deprotonation of Guanine Radical Cation in G-Quadruplex: A Combined Experimental and Theoretical Study [J]. Acta Chim. Sinica, 2018, 76(6): 475-482.
[8]	Chen Fangfang, Sun Xiaohui, Yao Qian, Li Zerong, Wang Jingbo, Li Xiangyuan. Accurate Calculation of the Energy Barriers and Rate Constants of the Large-size Molecular Reaction System for Abstraction from Alkyl Hydroperoxides [J]. Acta Chim. Sinica, 2018, 76(4): 311-318.
[9]	Chen Dong, Ji Meishan, Yao Yingming, Zhu Chen. Difunctionalization of Unactivated Alkenes through SCF₃ Radical-triggered Distal Functional Group Migration [J]. Acta Chimica Sinica, 2018, 76(12): 951-955.
[10]	Liao Fumin, Du Yi, Zhou Feng, Zhou Jian. Au(I)/Chiral Tertiary Amine Catalyzed Tandem Olefination/Asymmetric Cyclization Reaction to Quaternary Spirocyclic Oxindoles [J]. Acta Chim. Sinica, 2018, 76(11): 862-868.
[11]	Rong Jian, Ni Chuanfa, Wang Yunze, Kuang Cuiwen, Gu Yucheng, Hu Jinbo. Radical Fluoroalkylation of Aryl Alkenes with Fluorinated Sulfones by Visible-Light Photoredox Catalysis [J]. Acta Chimica Sinica, 2017, 75(1): 105-109.
[12]	Wen Zhiguo, Tian Chong, Borzov Maxim V., Nie Wanli. Ammonium Chloride/B(C₆F₅)₃ System Catalyzed Selective Addition of Acids to Alkynes [J]. Acta Chim. Sinica, 2016, 74(6): 498-502.
[13]	Jian-Feng Zheng, Zhi-Qiang Xie, Xin-Jian Chen, Pei-Qiang Huang. Direct Transformation of Amides: Reductive Cycloaddition of Secondary Amides with Danishefsky Diene [J]. Acta Chim. Sinica, 2015, 73(7): 705-715.
[14]	Yu Tianyang, Wang Yao, Xu Pengfei. A New Approach for Supramolecular Iminium Catalysis [J]. Acta Chimica Sinica, 2014, 72(7): 845-848.
[15]	Wu Lidan, Jie Jialong, Liu Kunhui, Su Hongmei. Deprotonation Kinetics of 1-Methylguanine After One-Electron Oxidation [J]. Acta Chimica Sinica, 2014, 72(11): 1182-1186.

自由基-分子加成反应活性的量子化学研究

Study on the reactivity of radical-molecular addition reaction using quantum method

PDF

Knowledge

Cited

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments